2,2,5-Trimethylhex-4-enyl acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H20O2
Molecular Weight	184.2753
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,5-Trimethylhex-4-enyl acetate

Structure Search

SMILES

CC(=O)OCC(C)(C)CC=C(C)C

InChI

InChIKey=GRPUBXWYKFLPCY-UHFFFAOYSA-N

InChI=1S/C11H20O2/c1-9(2)6-7-11(4,5)8-13-10(3)12/h6H,7-8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C11H20O2
Molecular Weight	184.2753
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:34:15 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:15 GMT 2023`
Record UNII	Q9BMF52PSZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2,5-Trimethylhex-4-enyl acetate

Systematic Name

English

4-Hexen-1-ol, 2,2,5-trimethyl-, 1-acetate

Systematic Name

English

4-Hexen-1-ol, 2,2,5-trimethyl-, acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

Q9BMF52PSZ

Created by admin on Sat Dec 16 12:34:15 GMT 2023 , Edited by admin on Sat Dec 16 12:34:15 GMT 2023

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CAS

94087-22-6

Created by admin on Sat Dec 16 12:34:15 GMT 2023 , Edited by admin on Sat Dec 16 12:34:15 GMT 2023

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PUBCHEM

3023426

Created by admin on Sat Dec 16 12:34:15 GMT 2023 , Edited by admin on Sat Dec 16 12:34:15 GMT 2023

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EPA CompTox

DTXSID30240412

Created by admin on Sat Dec 16 12:34:15 GMT 2023 , Edited by admin on Sat Dec 16 12:34:15 GMT 2023

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ECHA (EC/EINECS)

301-915-0

Created by admin on Sat Dec 16 12:34:15 GMT 2023 , Edited by admin on Sat Dec 16 12:34:15 GMT 2023

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